1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine

C14H27NO2 — CID 79914724

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1CCOC2(CCOC2)C1)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,3)12(15-4)11-5-7-17-14(9-11)6-8-16-10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyONHKVAMHMWXANY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 79914724) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID79914724
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1CCOC2(CCOC2)C1)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,3)12(15-4)11-5-7-17-14(9-11)6-8-16-10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyONHKVAMHMWXANY-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 116759847
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79911605
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726779
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105017181
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105170268
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine (CID 79914724) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine is CNC(C1CCOC2(CCOC2)C1)C(C)(C)C.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is ONHKVAMHMWXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)12(15-4)11-5-7-17-14(9-11)6-8-16-10-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79914724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).